3LFT
The Crystal Structure of the ABC domain in complex with L-Trp from Streptococcus pneumonia to 1.35A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.619, 68.630, 137.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.290 - 1.350 |
R-factor | 0.183 |
Rwork | 0.182 |
R-free | 0.20300 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.335 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | REFMAC (refmac_5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.400 |
High resolution limit [Å] | 1.350 | 2.910 | 1.350 |
Rmerge | 0.095 | 0.070 | 0.767 |
Number of reflections | 113883 | ||
<I/σ(I)> | 8.2 | ||
Completeness [%] | 99.9 | 99.2 | 100 |
Redundancy | 5.4 | 5.3 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 30% PEG 4000, 0.1M Tris pH 8.5, 0.2M Magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 277K |